2-benzyl-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 854915
• Molecular Formular: C21H22N6O2
• Molecular Mass: 390.43838
• Monoisotopic Mass: 390.18042397
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC3(CN(C(=O)C3)Cc3ccccc3)CC1)c2
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C21H22N6O2/c28-19-13-21(15-26(19)14-16-4-2-1-3-5-16)7-10-25(11-8-21)20(29)17-6-9-27-18(12-17)22-23-24-27/h1-6,9,12H,7-8,10-11,13-15H2
• InChIKey: SAXSXIHLTYIBBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2653725
• LogD (pH = 7.4): 1.2653728
• Log P: 1.2653728
• Molar Refractivity: 120.1963 cm^3
• Polarizability: 40.31395 Å^3
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 3

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.15
• LOG S: -3.48
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 3